Focused On-demand Library for Sorbitol dehydrogenase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q00796

UPID:
DHSO_HUMAN

ALTERNATIVE NAMES:
(R,R)-butanediol dehydrogenase; L-iditol 2-dehydrogenase; Polyol dehydrogenase; Ribitol dehydrogenase; Xylitol dehydrogenase

ALTERNATIVE UPACC:
Q00796; B2R655; B7Z3A6; J3JZZ5; Q16682; Q9UMD6

BACKGROUND:
Sorbitol dehydrogenase, alternatively known as Polyol dehydrogenase, is a key enzyme in the polyol pathway, facilitating the conversion of glucose to fructose via sorbitol. Its activity with substrates like D-sorbitol and xylitol underscores its significance in glucose metabolism and its potential link to diabetic complications. The enzyme's ability to oxidize secondary alcohols also suggests a broader metabolic function.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Sorbitol dehydrogenase deficiency with peripheral neuropathy, Sorbitol dehydrogenase represents a promising target for therapeutic intervention. Exploring its function further could unlock new avenues for treating metabolic diseases and managing diabetes-related complications, offering a new lease on life for affected individuals.

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